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2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester
SpectraBase Compound ID 5CwfM18KZAN
InChI InChI=1S/C21H18FNO3S/c1-12-4-5-15(10-13(12)2)19(24)23-20-18(21(25)26-3)17(11-27-20)14-6-8-16(22)9-7-14/h4-11H,1-3H3,(H,23,24)
InChIKey MMCVALFFAFKYQD-UHFFFAOYSA-N
Mol Weight 383.44 g/mol
Molecular Formula C21H18FNO3S
Exact Mass 383.099143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuVkh2czXgD
Name 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester
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Formula C21H18FNO3S
InChI InChI=1S/C21H18FNO3S/c1-12-4-5-15(10-13(12)2)19(24)23-20-18(21(25)26-3)17(11-27-20)14-6-8-16(22)9-7-14/h4-11H,1-3H3,(H,23,24)
InChIKey MMCVALFFAFKYQD-UHFFFAOYSA-N
Molecular Weight 383.437 g/mol
SMILES N(C(=O)c1cc(c(cc1)C)C)c1scc(c1C(OC)=O)-c1ccc(cc1)F
SPLASH splash10-001i-1900000000-416b754d61417bb1e88c
Synonyms Methyl 2-[(3,4-dimethylbenzoyl)amino]-4-(4-fluorophenyl)-3-thiophenecarboxylate Methyl 2-[(3,4-dimethylbenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Methyl 2-[(3,4-dimethylphenyl)carbonylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Wiley ID 1511140